N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine

C22H21N5O — CID 58327651

IUPACN-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(Nc3ccc(Oc4nccnc4C4CCCC4)cc3)nc2c1
InChIInChI=1S/C22H21N5O/c1-2-6-15(5-1)20-21(24-14-13-23-20)28-17-11-9-16(10-12-17)25-22-26-18-7-3-4-8-19(18)27-22/h3-4,7-15H,1-2,5-6H2,(H2,25,26,27)
InChIKeyRHKQUHARHWSKMI-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.55
Rot. Bonds5

About N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine

N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine (PubChem CID 58327651) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
PubChem CID58327651
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(Nc3ccc(Oc4nccnc4C4CCCC4)cc3)nc2c1
InChIInChI=1S/C22H21N5O/c1-2-6-15(5-1)20-21(24-14-13-23-20)28-17-11-9-16(10-12-17)25-22-26-18-7-3-4-8-19(18)27-22/h3-4,7-15H,1-2,5-6H2,(H2,25,26,27)
InChIKeyRHKQUHARHWSKMI-UHFFFAOYSA-N
XLogP5.55
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine
CID 59327050
1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 71080373
4-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]cyclohexan-1-one
CID 89117486
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 59351312
4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane
CID 144901645
1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine
CID 66986367
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
1-[4-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propane-1,2-diol
CID 90968858
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
1H-benzimidazol-2-yl-[4-[3-[1-[(E)-1-methoxybut-2-en-2-yl]piperidin-4-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 143998274
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine (CID 58327651) is N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine is c1ccc2[nH]c(Nc3ccc(Oc4nccnc4C4CCCC4)cc3)nc2c1.
What is the InChIKey of N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine?
The InChIKey is RHKQUHARHWSKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-6-15(5-1)20-21(24-14-13-23-20)28-17-11-9-16(10-12-17)25-22-26-18-7-3-4-8-19(18)27-22/h3-4,7-15H,1-2,5-6H2,(H2,25,26,27).
What are the key properties of N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine?
N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine has a molecular weight of 371.44 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 58327651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).